diff --git a/codes/hf.py b/codes/hf.py index aac48be3a475096d56ceeb54381f64dd4bd07014..4ea39fa94770daf2de2a98b193d4e46bdcc6994b 100644 --- a/codes/hf.py +++ b/codes/hf.py @@ -126,7 +126,7 @@ def total_energy(h, rho): total_energy : float System total energy computed as tr[h@rho]. """ - return np.sum(np.trace(h @ rho, axis1=-1, axis2=-2)).real + return np.sum(np.trace(h @ rho, axis1=-1, axis2=-2)).real / np.prod(rho.shape[:-2]) def updated_matrices(mf_k, model): """